CID 125449120

2060037-08-1

Structural Information

Molecular Formula
C9H15N3
SMILES
CC1(CC2=C(CNC1)C=NN2)C
InChI
InChI=1S/C9H15N3/c1-9(2)3-8-7(4-10-6-9)5-11-12-8/h5,10H,3-4,6H2,1-2H3,(H,11,12)
InChIKey
WTRISRPFOHFYNZ-UHFFFAOYSA-N
Compound name
7,7-dimethyl-4,5,6,8-tetrahydro-1H-pyrazolo[4,3-c]azepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.1266 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.13388 135.5
[M+Na]+ 188.11582 142.2
[M-H]- 164.11932 134.7
[M+NH4]+ 183.16042 154.3
[M+K]+ 204.08976 141.2
[M+H-H2O]+ 148.12386 127.4
[M+HCOO]- 210.12480 150.5
[M+CH3COO]- 224.14045 146.4
[M+Na-2H]- 186.10127 141.0
[M]+ 165.12605 127.7
[M]- 165.12715 127.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.